N-[(3-aminocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide

C8H18N2O4S2 — CID 106125513

IUPACN-[(3-aminocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCC1CCC(N)C1
InChIInChI=1S/C8H18N2O4S2/c1-15(11,12)6-16(13,14)10-5-7-2-3-8(9)4-7/h7-8,10H,2-6,9H2,1H3
InChIKeyZHGCFRILZAZBIV-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.96
Rot. Bonds5

About N-[(3-aminocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide

N-[(3-aminocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide (PubChem CID 106125513) has the molecular formula C8H18N2O4S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
PubChem CID106125513
Molecular FormulaC8H18N2O4S2
Molecular Weight270.38 g/mol
Exact Mass270.07
IUPAC NameN-[(3-aminocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCC1CCC(N)C1
InChIInChI=1S/C8H18N2O4S2/c1-15(11,12)6-16(13,14)10-5-7-2-3-8(9)4-7/h7-8,10H,2-6,9H2,1H3
InChIKeyZHGCFRILZAZBIV-UHFFFAOYSA-N
XLogP-0.96
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylcyclopentyl)methanesulfonamide
CID 68260673
N-(3-methylcyclopentyl)methanesulfonamide
CID 89616514
ethane;N-(3-methylcyclopentyl)methanesulfonamide
CID 167493684
ethane;N-(3-methylcyclopentyl)methanesulfonamide
CID 167493893
N-[(3-aminocyclopentyl)methyl]butane-1-sulfonamide
CID 11601106
N-[[(1S,3R)-3-aminocyclopentyl]methyl]methanesulfonamide
CID 11616482
N-[[(1S,3R)-3-aminocyclopentyl]methyl]butane-1-sulfonamide
CID 11694338
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylethanesulfonamide
CID 55174271
N-(1-cyclopentylethyl)methanesulfonamide
CID 64146309
N-[(2-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide
CID 65836573
N-[(3-aminocyclopentyl)methyl]methanesulfonamide
CID 73030852
N-[(1S)-1-cyclopentylethyl]methanesulfonamide
CID 81388911

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide (CID 106125513) is N-[(3-aminocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide is CS(=O)(=O)CS(=O)(=O)NCC1CCC(N)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide?
The InChIKey is ZHGCFRILZAZBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S2/c1-15(11,12)6-16(13,14)10-5-7-2-3-8(9)4-7/h7-8,10H,2-6,9H2,1H3.
What are the key properties of N-[(3-aminocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide?
N-[(3-aminocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide has a molecular weight of 270.38 g/mol, XLogP of -0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 106125513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).